SCHEMBL733518

SCHEMBL733518

COC(=O)c1ccc(-c2ccc(C(C)C(O)(c3ccnc(-c4ccc(C(=O)O)cc4)c3)C(F)(F)F)c(Cl)c2)c(C(C)C(O)(c2ccnc(-c3ccc(C(=O)O)cc3)c2)C(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
KDM6B O15054 1/20 0.39
KDM5C P41229 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
KDM2A Q9Y2K7 1/20 0.39
KDM3A Q9Y4C1 1/20 0.39
KMO O15229 1/20 0.36
TGFBR1 P36897 2/20 0.35
PDK2 Q15119 3/20 0.34
PDK1 Q15118 2/20 0.34
PDK3 Q15120 2/20 0.34
PDK4 Q16654 2/20 0.34
LOXL2 Q9Y4K0 1/20 0.33
TLR2 O60603 1/20 0.33
TLR1 Q15399 1/20 0.33
SRD5A2 P31213 1/20 0.33
MAPK14 Q16539 2/20 0.32
PPARD Q03181 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL480017 0.91 KDM4E (0.39) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL733519 0.89 SLC6A3 (0.39) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL479917 0.87 KMO (0.43) KDM4CKMOPDK2LOXL2
SCHEMBL754770 0.87 KMO (0.43) KDM4CKMOPDK2LOXL2
SCHEMBL837203 0.84 CHEK1 (0.39) KDM4EKDM4CKMOLOXL2SRD5A2
SCHEMBL15789725 0.82 KMO (0.38) KDM4CKMOLOXL2SRD5A2
SCHEMBL480056 0.82 BDKRB1 (0.42) KMOMAPK14
SCHEMBL838573 0.81 MDM4 (0.39) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL755473 0.81 ROCK2 (0.39) KDM4EPDK2PDK1PDK3PDK4
SCHEMBL479702 0.81 ROCK2 (0.39) KDM4EPDK2PDK1PDK3PDK4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2411361-B1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS HOFFMANN LA ROCHE (CH) 2014-06-18 EP disclosed
US-8138189-B2 Substituted benzene compounds as modulators of the glucocorticoid receptor HOFFMAN-LA ROCHE INC. (US) 2012-03-20 US disclosed
US-20100249139-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS HOFFMANN-LA ROCHE, INC. 2010-09-30 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100249139-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS NR3C1, NR3C2, CRHR1 KDM4E 1499/4885KDM6B 4518/4885KDM5C 3245/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.